各位老师好，之前在按照论坛里的dalton教程写了run.sh的脚本，放入文件夹中提交并运行，结果发生如下错误：
Error in mpirun -np 32 /home/a/DALTON-Source/build/dalton.x, exit code 100
dft_b3lyp_cart_H2O_intgrl.tar.gz has not been created and has thus not been copied to /home/a/DALTON-Source/build/test/dft_b3lyp_cart
----------------------------------------------------------
WARNING for ERROR (Dalton program stopped with exit code 100)
/DALTON_scratch_a/dft_b3lyp_cart_H2O_intgrl_30455 is not deleted
by this script so you may restart the calculation, if possible
/DALTON_scratch_a/dft_b3lyp_cart_H2O_intgrl_30455 may be deleted by your queueing system )
/DALTON_scratch_a/dft_b3lyp_cart_H2O_intgrl_30455 yourself !!!
Output from 'grep -n ERROR' :
214:DALTON FATAL ERROR: no file available with molecule input
216: --- SEVERE ERROR, PROGRAM WILL BE ABORTED ---
221:@ Reason: ERROR: no molecule input available